Structure database (LMSD)

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LM IDLMFA01020134
Common Name2,4-dimethyl-2-eicosenoic acid
Systematic Name2,4-dimethyl-2-eicosenoic acid
Synonyms-
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 22:1
LIPIDBANK IDDFA7102
PubChem CID5282673
InChIKeyLHBAARNMEIXEDK-XUTLUUPISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
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SMILES
C(CCCCCCCCCC)CCCCCC(C)/C=C(\C)/C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
401.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.52Molar
Refractivity
105.49